931-19-1

2-甲基吡啶氧化物(931-19-1)核磁图(¹³CNMR)

产品名称:2-甲基吡啶氧化物

CAS:931-19-1

分子式:C6H7NO

分子量: 109.13

InChI:InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChIKey: CFZKDDTWZYUZKS-UHFFFAOYSA-N

Smiles:C1(C)[N+]([O-])=CC=CC=1

Mass

MS-NW-1082          
2-methylpyridine N-oxide
C6H7NO              (Mass of molecular ion:    109)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.1
      18.0       2.7
      26.0       3.2
      27.0       9.8
      28.0       3.6
      29.0       1.3
      30.0       1.8
      37.0       3.0
      38.0       5.7
      39.0      28.1
      40.0       3.9
      41.0       2.7
      42.0       1.9
      43.0       1.6
      49.0       1.2
      50.0      10.1
      51.0      17.7
      52.0      10.9
      53.0       7.2
      54.0       1.5
      61.0       1.3
      62.0       2.1
      63.0       5.7
      64.0       3.2
      65.0      79.8
      66.0      13.8
      67.0       1.9
      74.0       1.4
      77.0       3.0
      78.0       8.9
      79.0       1.6
      80.0       1.7
      92.0     100.0
      93.0      21.5
      94.0       1.4
     109.0      92.6
     110.0       6.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₇ N O	0.04 ml : 0.5 ml CDCl₃
2-methylpyridine N-oxide

    Assign.     Shift(ppm)

      A             8.27
      B          7.46 to 7.04
      C             2.530

     Hz     ppm     Int.

    745.19   8.321     44
    744.69   8.315     57
    744.19   8.310     56
    742.63   8.292     32
    740.44   8.268    112
    738.88   8.251     27
    737.19   8.232     60
    736.81   8.228     66
    736.31   8.222     57
    655.38   7.318     48
    652.00   7.281     83
    649.56   7.253    132
    647.56   7.231    282
    645.06   7.203    187
    642.06   7.170    133
    638.31   7.128     85
    226.56   2.530   1000

in CDCl3